[2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C=CC4=CN(C5=CC=CC=C54)CCC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)/C=C/C4=CN(C5=CC=CC=C54)CCC#N

InChI

InChI=1S/C26H28N2O3/c27-8-3-9-28-16-21(22-4-1-2-5-23(22)28)6-7-25(30)31-17-24(29)26-13-18-10-19(14-26)12-20(11-18)15-26/h1-2,4-7,16,18-20H,3,9-15,17H2/b7-6+